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Tris{N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide}trichlorido-erbium(III).


ABSTRACT: The asymmetric unit of the title compound, [ErCl(3)(C(10)H(17)Cl(3)N(3)O(2)P)(3)], contains two independent mol-ecules. In each mol-ecule, the Er(III) ion is six-coordinated in a slightly distorted octa-hedral ErO(3)Cl(3) geometry with a fac-arrangement of the donor atoms. Intra-molecular N-H?Cl hydrogen bonds influence the mol-ecular conformations. Some of the pyrrolidine fragments in the N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide ligands are disordered over two conformations of equal occupancy. The unusually porous crystal packing exhibits voids of 162, 158 and 13?Å(3 )and short inter-molecular Cl?O contacts of 2.876?(3) and 3.022?(4)?Å.

SUBMITTER: Znovjyak KO 

PROVIDER: S-EPMC2984002 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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Tris{N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide}trichlorido-erbium(III).

Znovjyak Kateryna O KO   Ovchynnikov Vladimir A VA   Shishkina Svitlana V SV   Sliva Tetyana Yu TY   Amirkhanov Vladimir M VM  

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4


The asymmetric unit of the title compound, [ErCl(3)(C(10)H(17)Cl(3)N(3)O(2)P)(3)], contains two independent mol-ecules. In each mol-ecule, the Er(III) ion is six-coordinated in a slightly distorted octa-hedral ErO(3)Cl(3) geometry with a fac-arrangement of the donor atoms. Intra-molecular N-H⋯Cl hydrogen bonds influence the mol-ecular conformations. Some of the pyrrolidine fragments in the N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide ligands are disordered over two conformations o  ...[more]

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